Compound Identification
SMILES
COC1=C(C)C=CC=C1N.NC1=C2C(O)=CC(=CC2=CC(=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=IHUWESGJPGOGDR-UHFFFAOYSA-N
Formula
C18H20N2O8S2
Mass
456.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 2-naphthalene sulfonates
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Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
2-naphthalene sulfonates
Alternative Parents
2-naphthalene sulfonic acids and derivatives Naphthols and derivatives Methoxyanilines 1-sulfo,2-unsubstituted aromatic compounds Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Aminotoluenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Sulfonyls Organosulfonic acids Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Not available
Substituents
2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Aminophenyl ether - Methoxyaniline - Arylsulfonic acid or derivatives - Methoxybenzene - Aminotoluene - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Phenol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Primary amine - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available